# generated using pymatgen
data_Th3In5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61431302
_cell_length_b   6.61441141
_cell_length_c   10.40213339
_cell_angle_alpha   90.00023303
_cell_angle_beta   90.00087502
_cell_angle_gamma   102.33857712
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3In5
_chemical_formula_sum   'Th6 In10'
_cell_volume   444.57939427
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Th  Th0  1  0.63245965  0.63245965  0.24988030  1.0
  Th  Th1  1  0.36753457  0.36753457  0.75011901  1.0
  Th  Th2  1  0.79359226  0.20640045  0.50003913  1.0
  Th  Th3  1  0.79357152  0.20641246  -0.00003608  1.0
  Th  Th4  1  0.20639945  0.79359126  0.50004013  1.0
  Th  Th5  1  0.20641246  0.79357252  -0.00003608  1.0
  In  In6  1  0.01853317  0.01853317  0.24995733  1.0
  In  In7  1  0.98145050  0.98145150  0.75004434  1.0
  In  In8  1  0.30729619  0.30729719  0.05084168  1.0
  In  In9  1  0.69270531  0.69270431  0.94914699  1.0
  In  In10  1  0.30736826  0.30736826  0.44920699  1.0
  In  In11  1  0.69262600  0.69262600  0.55079116  1.0
  In  In12  1  0.07488035  0.49206924  0.24998252  1.0
  In  In13  1  0.50795693  0.92514114  0.75002153  1.0
  In  In14  1  0.92514214  0.50795693  0.75002153  1.0
  In  In15  1  0.49206924  0.07488135  0.24998252  1.0